SCHEMBL3493071

SCHEMBL3493071

CSc1ccc(Nc2cc(C(=O)O)ccn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
GBA1 P04062 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
ROCK1 Q13464 1/20 0.50
AURKA O14965 2/20 0.47
KDM4D Q6B0I6 4/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3494016 0.86 ROCK1 (0.50) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL3492940 0.85 ROCK1 (0.50) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL25311520 0.82 HCAR3 (0.58) NPC1RAB9AMAPTAURKAKDM4D
SCHEMBL1136838 0.81 MAPK10 (0.61) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL5453950 0.76 PLK1 (0.53) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL23020664 0.75 KDM4D (0.53) MAPTKDM4DGABRPGABRDGABRA1
SCHEMBL3494189 0.75 NPC1 (0.39) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL5813724 0.75 SMN1; SMN2 (0.65) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL1759068 0.73 KDM4D (0.57) MAPTKDM4DGABRPGABRDGABRA1
SCHEMBL23304356 0.72 MAPK8 (0.56) NPC1RAB9AMAPTSMN1; SMN2AURKA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP NPC1 1571/4885RAB9A 3231/4885MAPT 368/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.